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EC number: 700-954-4 | CAS number: 1338-23-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010-03-17 to 2010-06-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- Remarks on result:
- other: no pH data
- Conclusions:
- The methyl-ethylketone peroxide in TXIB/diacetone alcohol consists of several compounds, including 2-butanone peroxide (methyl-ethylketone peroxide, MEKP). The retention time of 2-butanone peroxide (MEKP) was shorter than that of any calibration standard. In conclusion, the estimated log Pow of 2-butanone peroxide (MEKP):< 0.3. The assumed log Pow of the methyl-ethylketone peroxide dimer is < 2.04.
- Executive summary:
The partition coefficient (Pow) of methyl-ethylketone peroxide in TXIB/diacetone alcohol was determined using HPLC according to OECD Guideline No. 117 and EU method Annex A.8.
The concentration of the stock solutions and test solutions were about 1 mg/mL and 10µg/mL, respectively. Technical methyl-ethylketone peroxide consists of several compounds, including 2-butanone peroxide (methyl-ethylketon peroxide, MEKP). The retention time of 2-butanone peroxide (MEKP) was shorter than that of any calibration standard. In conclusion, the estimated log Pow of 2-butanone peroxide (MEKP) was less than 0.3. The assumed log Pow of methyl-ethylketone peroxide dimer is less than 2.04.
Reference
Description of key information
Following EU-method A.8 and OECD guideline 117, the log Pow of methyl-ethylketone peroxide in TXIB/diacetone alcohol (monomer) was determined to be <0.3 at 25 °C. The calculated log Pow of methyl-ethylketone peroxide in TXIB/diacetone alcohol (dimer) was < 2.04.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.04
- at the temperature of:
- 25 °C
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